Glycoside
GD040482
Name:
1,5-anhydro-3-o-methyl-2,6-di-o-sulfo-d-glucitolFormula:
C7H14O11S2Smiles:
CO[C@@H]1[C@@H](OS(=O)(=O)O)CO[C@@H](COS(=O)(=O)O)[C@H]1OAglycone:
COS(=O)(=O)O.O=S(=O)(O)OSugarmoiety:
COC1OCOC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.31 | Num_heavy_atoms: | 20 |
| TPSA: | 165.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
